CHEBI:48527 - (S)-hydratropic acid

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ChEBI Name (S)-hydratropic acid
ChEBI ID CHEBI:48527
ChEBI ASCII Name (S)-hydratropic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H10O2
Net Charge 0
Average Mass 150.17450
Monoisotopic Mass 150.06808
InChI InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
InChIKey YPGCWEMNNLXISK-ZETCQYMHSA-N
SMILES C[C@H](C(O)=O)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via hydratropic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-hydratropic acid (CHEBI:48527) is a hydratropic acid (CHEBI:48526)
(S)-hydratropic acid (CHEBI:48527) is enantiomer of (R)-hydratropic acid (CHEBI:43035)
Incoming (R)-tropic acid (CHEBI:30767) has functional parent (S)-hydratropic acid (CHEBI:48527)
dexketoprofen (CHEBI:76128) has functional parent (S)-hydratropic acid (CHEBI:48527)
(R)-hydratropic acid (CHEBI:43035) is enantiomer of (S)-hydratropic acid (CHEBI:48527)
IUPAC Name
(2S)-2-phenylpropanoic acid
Synonyms Sources
(+)-Hydratropasäure ChEBI
(+)-hydratropic acid ChEBI
(S)-2-phenylpropanoic acid ChEBI
(S)-α-methylbenzeneacetic acid NIST Chemistry WebBook
Registry Numbers Types Sources
1521971 Gmelin Registry Number Gmelin
2044507 Beilstein Registry Number Beilstein
4292113 Beilstein Registry Number Beilstein
7782-24-3 CAS Registry Number ChemIDplus
7782-24-3 CAS Registry Number NIST Chemistry WebBook
Last Modified
29 October 2013